0 B4R0.1 COC(N)=S 105257 [0,0,0,0,0,0|2,1,0]=3 1 B4R0.1 [2H]C(=O)OC 105254 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.1 N[13CH2][13CH2]O 105350 [1,0,0,0,0,0|1,0,1]=3 3 B3R0.1 [C-]#[N+]CC 433365 [1,0,0,0,0,0|2,0,0]=3 4 B3R0.2 CC(=O)O 035907 [1,0,0,0,0,0|0,0,0]=1 5 B3R0.2 CC(=O)O 044721 [1,0,0,0,0,0|0,0,0]=1 6 B3R0.2 CC(C)=O 050332 [1,0,0,0,0,0|1,0,0]=2 7 B3R0.2 O=C(O)O 094746 [1,0,0,0,0,0|1,0,0]=2 8 B3R0.2 O=C(O)O 105338 [1,0,0,0,0,0|1,0,0]=2 9 B3R0.2 O=C([O-])[O-] 044706 [1,0,0,0,0,0|1,0,1]=3 10 B3R0.2 O=C([O-])[O-] 245931 [1,0,0,0,0,0|1,0,1]=3 11 B3R0.2 [2H]C(=O)O 105268 [1,0,0,0,0,0|1,0,0]=2 12 B3R0.2 [2H]C(=O)[O-] 105199 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 CCOC(=S)Cl 470560 [0,1,0,0,0,0|1,1,0]=3 14 B5R0.1 CCOC(N)=S 105176 [0,1,0,0,0,0|1,1,0]=3 15 B5R0.1 CNCC(F)F 436159 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.1 [2H]C(=O)OCC 105259 [0,1,0,0,0,0|1,0,0]=2 17 B5R0.3 CCC(S)CC 105148 [0,1,0,0,0,0|1,1,1]=4 18 B5R0.3 CNC(=O)NN 237741 [0,1,0,0,0,0|2,0,0]=3 19 B5R0.5 O=C(Cl)C(F)Cl 104873 [0,1,0,0,0,0|2,0,0]=3 20 B2R0.1 C[13CH2]I 105184 [2,0,0,0,0,0|1,0,0]=3 21 B2R0.1 ClCCl 035912 [2,0,0,0,0,0|2,0,0]=4 22 B2R0.1 O=CO 080324 [2,0,0,0,0,0|0,0,0]=2 23 B2R0.1 [13CH3][13CH2]I 105187 [2,0,0,0,0,0|1,0,0]=3 24 B4R0.2 CCN=C=O 386377 [1,1,0,0,0,0|0,0,1]=3 25 B4R0.2 COCC=O 105128 [1,1,0,0,0,0|0,0,0]=2 26 B4R0.2 CSCCBr 472152 [1,1,0,0,0,0|1,0,1]=4 27 B4R0.3 O=P(O)(O)O 099856 [1,1,0,0,0,0|2,0,0]=4 28 B6R0.1 CCOC(=O)OC 075947 [0,2,0,0,0,0|0,0,0]=2 29 B6R0.2 CC(=O)OC(C)=O 035908 [0,2,0,0,0,0|1,0,1]=4 30 B6R0.3 CCC(C)S(=O)[O-] 070719 [0,2,0,0,0,0|1,0,1]=4 31 B6R0.3 CCN(Cl)C(=O)O 105234 [0,2,0,0,0,0|0,0,0]=2 32 B6R0.3 CNC(=O)[C@H](C)N 105085 [0,2,0,0,0,0|1,0,0]=3 33 B6R0.3 COC(C)C(=O)O 219524 [0,2,0,0,0,0|0,0,0]=2 34 B6R0.4 CCCCC(C)=O 098350 [0,2,0,0,0,0|1,0,0]=3 35 B6R0.4 O=CNCC(=O)O 242940 [0,2,0,0,0,0|0,0,1]=3 36 B6R0.7 CC(C)(F)C(=O)Cl 105008 [0,2,0,0,0,0|1,0,0]=3 37 B6R0.7 CC(C)S(=O)(=O)F 070500 [0,2,0,0,0,0|1,0,1]=4 38 B6R1.6 ON=C1CCC1 069003 [0,1,0,1,0,0|1,0,0]=3 39 B6R1.7 OCC1(Br)CC1 105295 [0,1,0,1,0,0|1,0,1]=4